Hello,
I have a problem running the ambpdb program. I need to generate PDBs
including atomic charges from RST and parm files. The RST files were
obtained from an MDCRD file using CARNAL.
Previously, I have had no problems running ambpdb on a system containing
20000 atoms, but when I run on a system containing 100000 atoms, I get the
following error message:
unit 10 named [file name of parm file]
last format: (5e16.8) Unit 10 is a sequential formatted external file ***
Execution Terminated (115) ***
There should be no problem with the parm file as it works fine with
carnal. The parm file should be totally compatible with the RST file I am
trying to generate the pdb file from as it was used to generate that RST
file from carnal.
Please does anyone have any suggestions as to what might be causing this
error?
many thanks
Richard Wigglesworth.
Received on Mon Jun 26 2000 - 23:55:44 PDT
